Materials Data on P2O5 by Materials Project

doi:10.17188/1200131

Title: Materials Data on P2O5 by Materials Project

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Abstract

P2O5 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.46–1.61 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent P5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-2452

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; P2O5; O-P

OSTI Identifier:: 1200131

DOI:: https://doi.org/10.17188/1200131

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                    The Materials Project. Materials Data on P2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200131.

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                    The Materials Project. Materials Data on P2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200131

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                    The Materials Project. 2020.  
"Materials Data on P2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200131.  https://www.osti.gov/servlets/purl/1200131. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1200131,

  title        = {Materials Data on P2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {P2O5 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.46–1.61 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent P5+ atoms.},

  doi          = {10.17188/1200131},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1200131

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